Geometry & MOs

Info

ID:	416763
PubChem CID:	135090319
Reduced:	N3O5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	389.185175
ΔH_f, kcal/mol:	-179.67
Dipole, Da:	6.13
IP(EA), eV:	-9.35(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,7R,7aR)-7-hydroxy-7-phenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-[4-(tetrazol-1-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CCC[C@@]1(CN(CC[C@@H]1O)C2=NC3=C(N2C)C=CC(=C3)C(=O)O)C(=O)O

DOS

IR

Vibrations